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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid , (2S)-2-[[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid , (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid , (2S)-2-[[4-[(2-amino-4-keto-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid
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| Smiles: |
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NC[C@H]1CNc2c(N1)c(=O)nc([nH]2)N
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| InChi : |
InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1
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| InChi Key : |
InChIKey=MSTNYGQPCMXVAQ-RYUDHWBXSA-N
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| PubChem ID : |
91443
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| Rotatable bond count : |
10
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
13
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Ionization potential : |
8.520702
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| Hydrogen bond donor count : |
8
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Electric dipole moment : |
13.281
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| XLogP : |
-2.508
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VDW volume : |
395.201344
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| Molecular weight : |
445.170981
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HOMO-LUMO gap : |
8.166000
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| Herb list : |
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| Refrences & Litretures: |
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